Mon Jul 04 16:48:23.300 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:48:23.302 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H7_OS_Plate05_H7\1\pdata\1
Mon Jul 04 16:48:23.310 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:48:23.314 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:48:23.316 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:48:23.346 CEST 2022: No HSQC data available
Mon Jul 04 16:48:23.357 CEST 2022: No C13 data available
Mon Jul 04 16:48:23.368 CEST 2022: No HMBC data available
Mon Jul 04 16:48:23.375 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:48:23.394 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:48:23.501 CEST 2022: Structure is used: true
Mon Jul 04 16:48:23.527 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H7_OS_Plate05_H7/1/7_OS_Plate05_H7.mol
Mon Jul 04 16:48:23.530 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:48:23.538 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:48:23.541 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:48:23.544 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:48:23.546 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:48:23.548 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:48:23.551 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:48:23.553 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:48:23.557 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:48:23.560 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:48:23.563 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:48:23.565 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:48:23.567 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:48:23.570 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:48:23.573 CEST 2022: RMSD noise: 28295544.945 (-2.860/-3.360)
Mon Jul 04 16:48:23.575 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:48:23.578 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:48:23.582 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:48:23.605 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:48:23.668 CEST 2022: Number of Peaks: (46, 10)
Mon Jul 04 16:48:23.671 CEST 2022: Elapsed time for evaluation (PP Suite): 0.06 s.
Mon Jul 04 16:48:23.674 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:48:23.700 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:48:23.703 CEST 2022: Signal-to-Noise ratio: 588.92 (8.801 ppm)
Mon Jul 04 16:48:23.705 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:48:23.708 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:23.710 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.17 s.
Mon Jul 04 16:48:23.720 CEST 2022: Number of Multiplets: 72
Mon Jul 04 16:48:23.722 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:48:23.753 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:48:23.759 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:48:23.764 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:48:23.878 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:48:23.883 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:48:23.887 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:48:23.890 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:48:23.893 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:23.895 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:48:23.947 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:48:24.079 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:48:24.128 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:48:24.481 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:48:24.485 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:24.487 CEST 2022: CMC-q finished in 1.19 s.
